N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide (CHEBI:129577)

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CHEBI:129577 - N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide

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ChEBI ID	CHEBI:129577
ChEBI Name	N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C37H55N3O6
Net Charge	0
Average Mass	637.862
Monoisotopic Mass	637.40909
SMILES	COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1
InChI	InChI=1S/C37H55N3O6/c1-26-22-40(27(2)25-41)37(43)33-21-31(38-36(42)30-12-7-6-8-13-30)16-19-34(33)46-28(3)11-9-10-20-45-35(26)24-39(4)23-29-14-17-32(44-5)18-15-29/h14-19,21,26-28,30,35,41H,6-13,20,22-25H2,1-5H3,(H,38,42)/t26-,27+,28+,35+/m1/s1
InChIKey	UVSCGJDGVAXROK-PNCWTNKOSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide (CHEBI:129577) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide (CHEBI:129577) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-41128	LINCS